(phenylmethyl) N-[3-[(2-azanyl-1,3-benzothiazol-7-yl)sulfonyl-(2-methylpropyl)amino]propyl]-N-(phenylmethyl)carbamoperoxoate

Systemtic Name: (phenylmethyl) N-[3-[(2-azanyl-1,3-benzothiazol-7-yl)sulfonyl-(2-methylpropyl)amino]propyl]-N-(phenylmethyl)carbamoperoxoate Openeye Name: benzyl N-[3-[(2-amino-1,3-benzothiazol-7-yl)sulfonyl-isobutyl-amino]propyl]-N-benzyl-carbamoperoxoate CAS Name: N-[3-[(2-amino-1,3-benzothiazol-7-yl)sulfonyl-(2-methylpropyl)amino]propyl]-N-(phenylmethyl)carbamoperoxoic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-[(2-amino-1,3-benzothiazol-7-yl)sulfonyl-(2-methylpropyl)amino]propyl]-N-benzylcarbamoperoxoate Traditional Name: N-[3-[(2-amino-1,3-benzothiazol-7-yl)sulfonyl-isobutyl-amino]propyl]-N-benzyl-carbamoperoxoic acid benzyl ester Formula: C29H34N4O5S2 MolecularWeight: 582.73406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCCN(CC1=CC=CC=C1)C(=O)OOCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3SC(=N4)N

Isomeric SMILES

CC(C)CN(CCCN(CC1=CC=CC=C1)C(=O)OOCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3SC(=N4)N

InChI

InChI=1S/C29H34N4O5S2/c1-22(2)19-33(40(35,36)26-16-9-15-25-27(26)39-28(30)31-25)18-10-17-32(20-23-11-5-3-6-12-23)29(34)38-37-21-24-13-7-4-8-14-24/h3-9,11-16,22H,10,17-21H2,1-2H3,(H2,30,31)